8-cyclopropyl-3-hydrazinyl-8-azabicyclo[3.2.1]octane dihydrochloride

• ChemBase编号: 236277
• 分子式: C10H21Cl2N3
• 平均质量: 254.19984
• 单一同位素质量: 253.11125305
• SMILES: N1(C2CC(CC1CC2)NN)C1CC1.Cl.Cl
• Canonical SMILES: NNC1CC2CCC(C1)N2C1CC1.Cl.Cl
• InChI: InChI=1S/C10H19N3.2ClH/c11-12-7-5-9-3-4-10(6-7)13(9)8-1-2-8;;/h7-10,12H,1-6,11H2;2*1H
• InChIKey: PGVYAVIOELJOKR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-cyclopropyl-3-hydrazinyl-8-azabicyclo[3.2.1]octane dihydrochloride
• IUPAC传统名: 8-cyclopropyl-3-hydrazinyl-8-azabicyclo[3.2.1]octane dihydrochloride
• 别名: 8-cyclopropyl-3-hydrazinyl-8-azabicyclo[3.2.1]octane dihydrochloride

登记号

• MDL号: MFCD22196557
• PubChem SID: 164292187
• PubChem CID: 71755682

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -3.3832881
• LogD (pH = 7.4): -2.4832344
• Log P: 0.20758799
• 摩尔折射率: 64.4394 cm^3
• 极化性: 21.346249 Å^3
• 极化表面积: 41.29 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -0.368

产品相关信息

• 纯度: 95%